- InChI
- InChI=1S/C20H31N3OS/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h3,13-16,24H,4-11H2,1-2H3,(H3,21,23,25)/b22-17+
- InChI Key
- MOQTVGQHEGMMDS-OQKWZONESA-N
- Formula
- C20H31N3OS
- SMILES
-
CC12CCC(O)CC1=CCC1C2CCC2(C)C(=
NNC(N)=S)CCC12 - Molecular Weight1
- 361.55
- CAS
- 65628-35-5
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -37.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.29 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 3.499 | Crippen Calculated Property | |
| McVol | 288.480 | ml/mol | McGowan Calculated Property |
| Pc | 1854.71 | kPa | Joback Calculated Property |
| Tboil | 1064.67 | K | Joback Calculated Property |
| Tc | 1320.71 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17-Thiosemicarbazonoandrost-5-en-3beta-ol.
Sources
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